N6-(3-methoxypropyl)-N4,1-diphenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-N4,1-diphenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-N4,1-diphenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-N4,1-diphenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-4-N,1-diphenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-anilino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)-(3-methoxypropyl)amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4

Isomeric SMILES

COCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O/c1-28-14-8-13-22-21-25-19(24-16-9-4-2-5-10-16)18-15-23-27(20(18)26-21)17-11-6-3-7-12-17/h2-7,9-12,15H,8,13-14H2,1H3,(H2,22,24,25,26)